SCHEMBL13577159

SCHEMBL13577159

CC(C)C(Oc1ccc(Cl)c(N)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ IDO2 Q6ZQW0 1/20 0.36
▸ NOS2 P35228 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13577006 0.84 ALOX5 (0.47) SLC6A4DRD4RORC
SCHEMBL13577130 0.84 ALOX5 (0.47) SLC6A4DRD4RORC
SCHEMBL13577129 0.84 ALOX5 (0.47) SLC6A4DRD4RORC
SCHEMBL13577155 0.78 SLC6A4 (0.52) SLC6A4DRD4NOS2SLC6A9
SCHEMBL7841456 0.77 SLC6A4 (0.50) SLC6A4IDO1TDO2PPARGPPARA
SCHEMBL10653792 0.77 TP53 (0.45) DRD4ALDH1A1TSHRTP53KDM4E
SCHEMBL13577164 0.76 PPARG (0.50) SLC6A4DRD4PPARGPPARAHPGD
SCHEMBL13577157 0.75 SLC6A4 (0.56) SLC6A4DRD4NOS2SLC6A9
SCHEMBL13577156 0.75 DHFR (0.47) SLC6A4TSHRTP53LMNASMN1; SMN2
SCHEMBL13577025 0.75 DRD4 (0.40) SLC6A4DRD4IDO1TDO2IDO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 SLC6A4 4523/4885DRD4 2403/4885ALDH1A1 1048/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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